N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide

C21H26N2O4 — CID 4644531

IUPACN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O4/c1-3-27-14-6-13-22-21(26)19(16-11-9-15(2)10-12-16)23-20(25)17-7-4-5-8-18(17)24/h4-5,7-12,19,24H,3,6,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXANXRIOWDQOKFY-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.71
Rot. Bonds9

About N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide

N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 4644531) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID4644531
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O4/c1-3-27-14-6-13-22-21(26)19(16-11-9-15(2)10-12-16)23-20(25)17-7-4-5-8-18(17)24/h4-5,7-12,19,24H,3,6,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyXANXRIOWDQOKFY-UHFFFAOYSA-N
XLogP2.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide (CID 4644531) is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide is CCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is XANXRIOWDQOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-27-14-6-13-22-21(26)19(16-11-9-15(2)10-12-16)23-20(25)17-7-4-5-8-18(17)24/h4-5,7-12,19,24H,3,6,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide?
N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 4644531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).